Datasets:
BASF-AI
/
CoconutSmiles2NameBitextMining

Dataset card Data Studio Files
xet
Community
formula
stringlengths
1
139
smiles
stringlengths
1
1.53k
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C50H96O6
CCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCC(C)C
C15H20O4
C=C1C(=O)O[C@H]2CC(=C)[C@H](O)CC/C(C)=C/[C@@H](O)C12
C22H29N3O4
CN(CCC1=CC=CC=N1)CC[C@H]1CN(C(=O)C2=CC=CO2)CC[C@H]1CC(=O)O
C8H7N
CC1=CC=CC=C1C#N
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COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1[C@H](O)C[C@@]2(C)OC(C)=O
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C35H63NO3
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C25H39N3O6S
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C6H5N3O
CC1=C2N=CN=NC2=CO1
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COC(=O)[C@@]1(N)CCSC1
C23H30O7
C=CC[C@H]1C[C@]2(OC)C(=C(OC)C1=O)O[C@@H](C1=CC(OC)=C(OC)C(OC)=C1)[C@@H]2C
C16H18O4
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C45H74O19
C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@@H](O)[C@]3(C)[C@H]1[C@@H]2C
C46H84NO8P
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
C26H30N2S
CCCN(CCC)C(=S)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
C23H25N3O4
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C25H22O11
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C23H29N3O6
COC1=CC=C(CCNC(=O)N[C@@H]2C3=C(OC)C4=C(C=C3CCN2C)OCO4)C=C1OC
C26H45NO6
CCC(/C=C/C(N)=O)=C\CC[C@@H](CO)C[C@H](C)[C@H]1C[C@H](O)[C@H](C)[C@]2(C[C@@H](O)[C@H](C)[C@@H](C)O2)O1
C23H27N3O4
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C47H76O20
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C29H34N2O4
C=C(C)COC1=CC=C2C(C)=C(CCC(=O)NC3CCN(CC4=CC=CC=C4)CC3)C(=O)OC2=C1
C36H44O4
CCCCC1=C2C=CC(=C(CCCC)C3=[O+]C(=C(CCCC)C4=CC=C(O4)C(CCCC)=C4C=CC1=[O+]4)C=C3)O2
C21H31NO4
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C23H27NO4
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C41H70O5
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C=CCN1C(=O)[C@@H]2CN(S(=O)(=O)C3=CC=CS3)CCN2C1=O
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C19H23NO6
CCCC1=CC(=O)OC2=CC(C)=CC(OC(C)C(=O)N[C@@H](C)C(=O)O)=C12
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C20H18ClNO6
CCOC(=O)C1=C(C)[C@@H]2OC(=O)[C@@]1(C)[C@H]1C(=O)N(C3=CC=CC=C3Cl)C(=O)[C@H]21
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CC1(C)CC(=O)C(C)(C)CC1=O
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